tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate

C14H20ClNO3 — CID 25209043

IUPACtert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16(7-8-17)10-11-5-4-6-12(15)9-11/h4-6,9,17H,7-8,10H2,1-3H3
InChIKeyLJYIUXQSNXSPLZ-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.07
Rot. Bonds4

About tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate

tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate (PubChem CID 25209043) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
PubChem CID25209043
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nametert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)Cc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16(7-8-17)10-11-5-4-6-12(15)9-11/h4-6,9,17H,7-8,10H2,1-3H3
InChIKeyLJYIUXQSNXSPLZ-UHFFFAOYSA-N
XLogP3.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate
CID 25209338
tert-butyl N-[(3-chlorophenyl)methyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
CID 139930735
tert-butyl N-[(4-bromo-3-methylphenyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 70935034
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
tert-butyl 2-[(3-chlorophenyl)methyl-methylamino]acetate
CID 123748358
[benzyl(2-hydroxyethyl)carbamoyl] tert-butyl carbonate
CID 102250598
tert-butyl N-[(3-aminophenyl)methyl]-N-[3-(3-aminophenyl)propyl]carbamate
CID 129253519
tert-butyl N-benzyl-N-[6-[6-hydroxyhexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 22006348
tert-butyl N-[(3-chlorophenyl)methyl]-N-[(4-oxo-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-7-yl)methyl]carbamate
CID 15429328
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 15541797
methyl 2-[[3-(bromomethyl)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 131722439
3-[(3-chloro-4-phenylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 171066402

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate (CID 25209043) is tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)N(CCO)Cc1cccc(Cl)c1.
What is the InChIKey of tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate?
The InChIKey is LJYIUXQSNXSPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16(7-8-17)10-11-5-4-6-12(15)9-11/h4-6,9,17H,7-8,10H2,1-3H3.
What are the key properties of tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate?
tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate has a molecular weight of 285.77 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 25209043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).